Hi, I'm having issues with a qst2 calculation where I get this error, please see attached, I would greatly appreciate some feedback if possible?

I did the calculation previously where I optimised the reactant and product using b3lyp/6-31+g(d) followed by a refinement using b3lyp/6-311++g(d) and then ran a qst2 calculation at...

22 April 2025 7,226 3 View